ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C)Br)C

InChI

InChI=1S/C18H21BrN2O4S/c1-4-24-17(23)16-12(3)20-18(26-16)21-15(22)6-5-9-25-14-8-7-11(2)10-13(14)19/h7-8,10H,4-6,9H2,1-3H3,(H,20,21,22)